ethyl 3-[3-(2-methoxyphenyl)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoate

Systemtic Name: ethyl 3-[3-(2-methoxyphenyl)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoate Openeye Name: ethyl 3-[3-(2-methoxyphenyl)-4-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]propanoate CAS Name: 3-[3-(2-methoxyphenyl)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2-methoxyphenyl)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoate Traditional Name: 3-[3-(2-methoxyphenyl)-4-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]propionic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=S)N(C(=N1)C2=CC=CC=C2OC)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CCN1C(=S)N(C(=N1)C2=CC=CC=C2OC)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N3O3S/c1-4-27-19(25)13-14-23-21(28)24(16-11-9-15(2)10-12-16)20(22-23)17-7-5-6-8-18(17)26-3/h5-12H,4,13-14H2,1-3H3